SCHEMBL3080868

SCHEMBL3080868

CC(C)C1CC(=O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
PARP1 P09874 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.44
HTR2C P28335 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL754805 0.85 HTR2C (0.54) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL1170552 0.85 HTR2C (0.54) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL31329634 0.85 HTR2C (0.54) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL21751143 0.81 PARP1 (0.47) CYP3A4CYP2C9CYP2C19PARP1PSEN1
SCHEMBL21326064 0.81 PARP1 (0.47) CYP3A4CYP2C9CYP2C19PARP1PSEN1
SCHEMBL8272821 0.81 PREP (0.65) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL13532966 0.81 PREP (0.65) PREPACE2NPC1RAB9ASMN1; SMN2
SCHEMBL2391599 0.81 AOC3 (0.52) PREPCYP2C19ACE2PARP1PSEN1
SCHEMBL4621183 0.81 PARP1 (0.48) CYP3A4CYP2C9CYP2C19PARP1PSEN1
SCHEMBL11179612 0.81 NPC1 (0.51) PREPCYP3A4CYP2C9CYP2C19PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
CN-101370776-A 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARM INC (US) 2009-02-18 CN disclosed
EP-1957458-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES Elan Pharmaceuticals Inc. (US) 2008-08-20 EP disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
WO-2007064914-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES ELAN PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S PREP 411/4885CYP3A4 982/4885CYP2C9 763/4885
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S PREP 411/4885CYP3A4 982/4885CYP2C9 763/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.